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33342-05-1

33342-05-1 structural image
Product Name: Gliquidone
Formula: C27H33N3O6S
Synonyms: 2-{2-[4-({[(cyclohexylamino)carbonyl]amino}sulfonyl)phenyl]ethyl}-7-methoxy-4,4-dimethyl-1,3-dioxo-1,2,3,4-tetrahydroisoquinoline
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 180-182
Solubility 69.5 [ug/mL] (The mean of the results at pH 7.4)
LogP 4.5

COMPUTED DESCRIPTORS

Molecular Weight 527.6 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 527.20900695 g/mol
Monoisotopic Mass 527.20900695 g/mol
Topological Polar Surface Area 130 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 948
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-cyclohexyl-3-[4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolinyl)ethyl]phenyl]sulfonylurea is a member of isoquinolines.